SCHEMBL11318261

SCHEMBL11318261

NN=C(OI)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 3/20 0.39
PTK2B Q14289 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14188136 0.78 L3MBTL1 (0.42) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29495807 0.72 NR4A1 (0.48) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28751221 0.72 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL732404 0.68 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2494543 0.67 NR4A1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL15534467 0.67 NR4A1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29393451 0.66 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL49654 0.66 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL103070 0.66 NR4A1 (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL13521790 0.66 NR4A1 (0.46) NR4A1NR4A2NR4A3MMP3HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 US disclosed